[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Chemical Structure Depiction of
[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Compound characteristics
| Compound ID: | 8255-1207 |
| Compound Name: | [1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | CN1C(N(CC(O)=O)C(c2c1nc1N(CCCn12)c1ccc(cc1)Oc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4786 |
| logD: | -1.3978 |
| logSw: | -2.6166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.186 |
| InChI Key: | PGKHCJIVFJXXIJ-UHFFFAOYSA-N |